2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

C20H18FNO4S — CID 51152684

IUPAC2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)N(Cc2ccco2)Cc2ccco2)c(F)c1
InChIInChI=1S/C20H18FNO4S/c1-14(23)15-6-7-19(18(21)10-15)27-13-20(24)22(11-16-4-2-8-25-16)12-17-5-3-9-26-17/h2-10H,11-13H2,1H3
InChIKeyBLNGBBFDMXUPIB-UHFFFAOYSA-N
MW387.43 g/mol
LogP4.54
Rot. Bonds8

About 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide

2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (PubChem CID 51152684) has the molecular formula C20H18FNO4S and a molecular weight of 387.43 g/mol. Its IUPAC name is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
PubChem CID51152684
Molecular FormulaC20H18FNO4S
Molecular Weight387.43 g/mol
Exact Mass387.09
IUPAC Name2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(SCC(=O)N(Cc2ccco2)Cc2ccco2)c(F)c1
InChIInChI=1S/C20H18FNO4S/c1-14(23)15-6-7-19(18(21)10-15)27-13-20(24)22(11-16-4-2-8-25-16)12-17-5-3-9-26-17/h2-10H,11-13H2,1H3
InChIKeyBLNGBBFDMXUPIB-UHFFFAOYSA-N
XLogP4.54
TPSA63.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 55340134
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[(4-methoxyphenyl)methyl]-N-prop-2-enylacetamide
CID 55918586
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[1-(furan-2-carbonyl)piperidin-4-yl]acetamide
CID 134000230
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-tert-butylacetamide
CID 51149797
N,N-bis(furan-2-ylmethyl)-2-propan-2-yloxyacetamide
CID 115593503
2-amino-N-[(4-fluorophenyl)methyl]-N-(furan-2-ylmethyl)acetamide
CID 39362089
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(4-propan-2-ylphenyl)acetamide
CID 31504385
3-acetamido-N-benzyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60567345
2-(2,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9046359
2-(3,4-difluorophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-phenylacetamide
CID 55445056
N-(3-acetylphenyl)-2-[bis(furan-2-ylmethyl)amino]acetamide
CID 8840674

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide (CID 51152684) is 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is CC(=O)c1ccc(SCC(=O)N(Cc2ccco2)Cc2ccco2)c(F)c1.
What is the InChIKey of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
The InChIKey is BLNGBBFDMXUPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4S/c1-14(23)15-6-7-19(18(21)10-15)27-13-20(24)22(11-16-4-2-8-25-16)12-17-5-3-9-26-17/h2-10H,11-13H2,1H3.
What are the key properties of 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide?
2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide has a molecular weight of 387.43 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2-fluorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 51152684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).